3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide

C16H20F2N2O3 — CID 2105607

IUPAC3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
SMILESCC1CCN(C(=O)CNC(=O)c2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C16H20F2N2O3/c1-11-5-7-20(8-6-11)14(21)10-19-15(22)12-3-2-4-13(9-12)23-16(17)18/h2-4,9,11,16H,5-8,10H2,1H3,(H,19,22)
InChIKeyIANIUCFIKLAMFP-UHFFFAOYSA-N
MW326.34 g/mol
LogP2.28
Rot. Bonds5

About 3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide

3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide (PubChem CID 2105607) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
PubChem CID2105607
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC Name3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
SMILESCC1CCN(C(=O)CNC(=O)c2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C16H20F2N2O3/c1-11-5-7-20(8-6-11)14(21)10-19-15(22)12-3-2-4-13(9-12)23-16(17)18/h2-4,9,11,16H,5-8,10H2,1H3,(H,19,22)
InChIKeyIANIUCFIKLAMFP-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide (CID 2105607) is 3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide is CC1CCN(C(=O)CNC(=O)c2cccc(OC(F)F)c2)CC1.
What is the InChIKey of 3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is IANIUCFIKLAMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3/c1-11-5-7-20(8-6-11)14(21)10-19-15(22)12-3-2-4-13(9-12)23-16(17)18/h2-4,9,11,16H,5-8,10H2,1H3,(H,19,22).
What are the key properties of 3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 326.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 2105607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).